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ethyl (1R,5S,6R)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride

ethyl (1R,5S,6R)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride

CAS: 2095192-18-8

Formula: C8H14ClNO2

SMILES: Cl.CCOC(=O)[C@H]1[C@H]2CNC[C@@H]12

IUPAC: ethyl (1R,5S,6R)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride

InChI: InChI=1S/C8H13NO2.ClH/c1-2-11-8(10)7-5-3-9-4-6(5)7;/h5-7,9H,2-4H2,1H3;1H/t5-,6+,7-;

Composition: C (50.14%), H (7.36%), Cl (18.50%), N (7.31%), O (16.70%)

Molar Mass: 191.66

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 191.0713064
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FJXWRYLHEANOST-KDPVWLTQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.53
Topological Polar Surface Area 38.33
Polarizability 16.31
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 2095192-18-8 $285.20$285.20
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